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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Two-body potential model based on cosine series expansion for ionic materials

There is a method to construct a two-body potential model for ionic materials with a Fourier series basis and we examine it. For this method, the coefficients of cosine basis functions are uniquely determined by solving simultaneous linear equations to minimize the sum of weighted mean square errors in energy, force and stress, where first-principles calculation results are used as the reference data. As a validation test of the method, potential models for magnesium oxide are constructed. The mean square errors appropriately converge with respect to the truncation of the cosine series. This result mathematically indicates that the constructed potential model is sufficiently close to the one that is achieved with the non-truncated Fourier series and demonstrates that this potential virtually provides minimum error from the reference data within the two-body representation. The constructed potential models work appropriately in both molecular statics and dynamics simulations, especially if a two-step correction to revise errors expected in the reference data is performed, and the models clearly outperform two existing Buckingham potential models that were tested. Moreover, the good agreement over a broad range of energies and forces with first-principles calculations should enable the prediction of materials behavior away from equilibrium conditions, such as a system under irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Investigating the Link Between Radiologists Gaze, Diagnostic Decision, and Image Content

Objective: To investigate machine learning for linking image content, human perception, cognition, and error in the diagnostic interpretation of mammograms. Methods: Gaze data and diagnostic decisions were collected from six radiologists who reviewed 20 screening mammograms while wearing a head-mounted eye-tracker. Texture analysis was performed in mammographic regions that attracted radiologists attention and in all abnormal regions. Machine learning algorithms were investigated to develop predictive models that link: (i) image content with gaze, (ii) image content and gaze with cognition, and (iii) image content, gaze, and cognition with diagnostic error. Both group-based and individualized models were explored. Results: By pooling the data from all radiologists machine learning produced highly accurate predictive models linking image content, gaze, cognition, and error. Merging radiologists gaze metrics and cognitive opinions with computer-extracted image features identified 59% of the radiologists diagnostic errors while confirming 96.2% of their correct diagnoses. The radiologists individual errors could be adequately predicted by modeling the behavior of their peers. However, personalized tuning appears to be beneficial in many cases to capture more accurately individual behavior. Conclusions: Machine learning algorithms combining image features with radiologists gaze data and diagnostic decisions can be effectively developed to recognize cognitive and perceptual errors associated with the diagnostic interpretation of mammograms.

Tourassi, Georgia↗
DOE OSTI2024

Iterative Stress Reconstruction Algorithm to Estimate Three-Dimensional Residual Stress Fields in Manufactured Components

Residual stress (RS) significantly impacts the mechanical performance of components. Measurement of RS often provides incomplete data in terms of components of stress and spatial density. Employing such fields in finite element simulations results in significant modification of the field to achieve equilibrium and compatibility among strains. To overcome this, an iterative stress reconstruction algorithm (ISRA) is developed to estimate 3D RS fields that satisfy equilibrium, are stress component-wise complete, and represent the characterized data sampled. An Al 7075-T651 plate and an additively manufactured (AM) A36 steel wall are considered for RS reconstruction using measurement data from the literature. A maximum variation of ~2.5 MPa in the Al plate, and ~10 MPa in the steel wall are observed between the reconstructed and measured stresses. Furthermore, unknown stress components emerge and reach significant magnitudes (upto ~2.3 MPa in the Al plate and ~45 MPa in the AM wall) during ISRA. Indeed, it is found that minor errors in measurement or data processing are eliminated through the physical requirements during ISRA. Employing a reconstructed RS field is hence not just more accurate given its compatibility, but it additionally corrects for minor errors in measurement. Furthermore, it is found that spatially dense measurement data result in convergence with fewer iterations. Finally, although ISRA yields a nonunique solution dependent on boundary conditions, measurement errors, fitting errors, and mesh density, it accommodates for uncertainties and inaccuracies in measurement, as opposed to failing to reach a physically realistic converged solution.

42 ENGINEERING↗
DOE OSTI2015

STUDY OF CALIBRATION OF SOLAR RADIO SPECTROMETERS AND THE QUIET-SUN RADIO EMISSION

This work presents a systematic investigation of the influence of weather conditions on the calibration errors by using Gaussian fitness, least chi-square linear fitness, and wavelet transform to analyze the calibration coefficients from observations of the Chinese Solar Broadband Radio Spectrometers (at frequency bands of 1.0–2.0 GHz, 2.6–3.8 GHz, and 5.2–7.6 GHz) during 1997–2007. We found that calibration coefficients are influenced by the local air temperature. Considering the temperature correction, the calibration error will reduce by about 10%–20% at 2800 MHz. Based on the above investigation and the calibration corrections, we further study the radio emission of the quiet Sun by using an appropriate hybrid model of the quiet-Sun atmosphere. The results indicate that the numerical flux of the hybrid model is much closer to the observation flux than that of other ones.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Parallax-corrected VISST-derived pixel-level products from satellite GOES-16

The NASA Langley group led by William Smith produced GOES-16 satellite cloud retrievals over an approximate 10 by 10 degree region over the CACTI field campaign location. These retrievals are described here: https://www.arm.gov/capabilities/vaps/visst and are available for download here . They use algorithms historically called VISST that are now referred to as SatCORPS. More information can be found in Trepte et al. (2019), Minnis et al. (2021), and Yost et al. (2021). If using this dataset, please cite these references, the CACTI VISST dataset DOI found at the download link above, and this dataset’s DOI. The CACTI VISST pixel-level retrievals are on a 2 km spatial grid and available every 15 minutes (every 10 minutes late in the campaign), producing 21,765 files for the entire field campaign between October 2018 and April 2019. They are not corrected for parallax error, which is an offset in the actual geographical location of a cloud above the surface due to the satellite viewing the cloud partly from the side off nadir. This dataset applies a correction for parallax using the location relative to the satellite and the retrieved cloud top height above the surface, which allows the dataset to be geo-located with surface-based observations. The parallax correction for each location depends on the longitude, latitude and cloud top height above ground level (AGL) for that longitude and latitude in the original VISST files. The cloud top height AGL requires first computing the surface elevation at each VISST grid point. Data from the Advanced Spaceborne Thermal Emission and Reflection (ASTER) Global Digital Elevation Map Version 3 at 30-m resolution is projected onto the VISST grid using conservative coarsening (conserving surface elevation) in the xESMF Python package. The surface elevation is then subtracted from the VISST-retrieved cloud top height above mean sea level. These cloud top heights AGL are then combined with longitude and latitude to estimate the latitude and longitude corrections. Due to variability in cloud top height, the parallax shifts produce an irregular grid of values since higher cloud tops are shifted further than lower cloud tops. A ball tree-based neighbor search with Haversine distance is performed using the Python-based scikit-learn library to find the nearest VISST grid point to each parallax correction-shifted point. The data value of the shifted point is then assigned to that VISST grid point. In this manner, the irregular geographical shifts to correct for parallax are projected back to the rectilinear VISST grid. Because relatively higher clouds should obscure lower clouds, the variable values for the highest cloud top are preferentially chosen if two or more values are assigned to a grid point. The parallax correction should be viewed as an improved but still imperfect estimation of the cloud top locations, largely because the cloud top height is an imperfect retrieval. Please see the attached README document for further information. Users are encouraged to contact the authors with any additional questions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Linear Regression Systematics of the Q-weak Main Detector Asymmetry

The Q-weak collaboration has made the first direct measurement of the proton's weak charge at Jefferson Lab to tightly constrain new, parity-violating electron-quark interactions at the multi-TeV scale. Our experiment measured the ?200 ppb parity-violating asymmetry in the scattering of longitudinally polarized electrons from an unpolarized liquid hydrogen target at a luminosity of 1.8x10^39. Careful setup of the injector helped to suppress helicity correlated differences in beam position, angle, and energy which create false asymmetries due to changes in detector acceptance and the kinematic dependences of the e+p cross section. Measured differences in beam position were consistent among all 6 beam position monitors in front of the target, with a precision of ?1 nanometer. The size of corrections depends on the helicity correlated beam parameter differences, and averaged about 35 ppb per shift of data. The data were regressed using 10 different sets of Independent Variables. These were expected to give similar corrections yet showed differences at the +-10 ppb level. In this presentation I'll summarize how these different schemes have not only been helpful in understanding the sensitivities of the main detector but in assigning errors to the corrections.

Mack, David↗
DOE OSTI2016

Integrated Disposal Facility FY2011 Glass Testing Summary Report. Erratum

This report refers to or contains K g values for glasses LAWA44, LAWB45 and LAWC22 affected by calculations errors as identified by Papathanassiu et al. (2011). The corrected K g values are reported in an erratum included in the revised version of the original report. The revised report can be referenced as follows: Pierce E. M. et al. (2004) Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. PNNL-14805 Rev. 0 Erratum. Pacific Northwest National Laboratory, Richland, WA, USA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Laboratory Testing of Bulk Vitrified Low-Activity Waste Forms to Support the 2005 Integrated Disposal Facility Performance Assessment. Erratum

This report refers to or contains K g values for glasses LAWA44, LAWB45 and LAWC22 affected by calculations errors as identified by Papathanassiu et al. (2011). The corrected K g values are reported in an erratum included in the revised version of the original report. The revised report can be referenced as follows: Pierce E. M. et al. (2004) Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. PNNL-14805 Rev. 0 Erratum. Pacific Northwest National Laboratory, Richland, WA, USA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Integrated Disposal Facility FY 2012 Glass Testing Summary Report, Erratum

This report refers to or contains K g values for glasses LAWA44, LAWB45 and LAWC22 affected by calculations errors as identified by Papathanassiu et al. (2011) The corrected K g values are reported in an erratum included in the revised version of the original report. The revised report can be referenced as follows: Pierce E. M. et al. (2004) Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance Assessment. PNNL-14805 Rev. 0 Erratum. Pacific Northwest National Laboratory, Richland, WA, USA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Magnetic Tuning of 2.8 min In-Vacuum Undulator

This report presents the magnetic tuning results and the final magnetic performance of the In-Vacuum Undulator 2.8 m S/N A13006. In order to improve the magnetic field quality in term of phase error and to reduce the field integral errors as well as the multipole field errors, different inhouse corrections have been carried out with Neomax's engineers. Although the vendor’s data were found satisfactory, the discrepancy between their magnetic field measurement results and BNL’s was not acceptable both for field integrals and phase error [1].

36 MATERIALS SCIENCE↗
DOE OSTI2018

Erratum: “Accurate modeling of the hose instability in plasma wakefield accelerators” [Phys. Plasmas 25, 056703 (2018)]

Here, we would like to correct a typographical error which was introduced in Eqs. (5), (11), (14), (20a), and (20b) during revision of Ref. 1. The series expansion of the plasmaelectron phase space density to the first order of ⟨x⟩ and ⟨px⟩ [Eq. (5) in Ref. 1] correctly reads f p ≈ f p 0 - cos θ (⟨x⟩∂r+ ⟨px⟩∂pr)f p,0 The zeroth-order term, f p,0 , was not printed in Ref. 1. Accordingly, the correct expansion of the wakefield potential [Eq. (11) in Ref. 1] is ψ(r,θ) ≈ ψ0(r) -cos θ X p ∂ r ψ 0 (r), the correct expansion of the source term of the wakefield potential [Eq. (14) in Ref. 1] is S(r, θ) ≈ S 0 (r) - cos θ X p ∂ r S 0 (r), and the correct expansions of the force terms [Eqs. (20a) and (20b) in Ref. 1] are F r,b ≈ F r,b,o - cos θ X b ∂ r Fr,b,0, F r,b ≈ F r,p,o - cos θ ⟨x⟩ ∂ r F r,p,0 , The zeroth order terms in Eqs. (5), (11), (14), (20a), and (20b) are missing in the printing of Ref. 1 but were fully taken into account for the calculation of all derived equations of the mathematical model. The developed mathematical model and physical conclusions in Ref. 1 are therefore all unaltered by, and consistent with, the above corrections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The orbit and transit prospects for β pictoris b constrained with one milliarcsecond astrometry

A principal scientific goal of the Gemini Planet Imager (GPI) is obtaining milliarcsecond astrometry to constrain exoplanet orbits. However, astrometry of directly imaged exoplanets is subject to biases, systematic errors, and speckle noise. Here, we describe an analytical procedure to forward model the signal of an exoplanet that accounts for both the observing strategy (angular and spectral differential imaging) and the data reduction method (Karhunen–Loève Image Projection algorithm). We use this forward model to measure the position of an exoplanet in a Bayesian framework employing Gaussian processes and Markov-chain Monte Carlo to account for correlated noise. In the case of GPI data on β Pic b, this technique, which we call Bayesian KLIP-FM Astrometry (BKA), outperforms previous techniques and yields 1σ errors at or below the one milliarcsecond level. We validate BKA by fitting a Keplerian orbit to 12 GPI observations along with previous astrometry from other instruments. The statistical properties of the residuals confirm that BKA is accurate and correctly estimates astrometric errors. Our constraints on the orbit of β Pic b firmly rule out the possibility of a transit of the planet at 10-σ significance. However, we confirm that the Hill sphere of β Pic b will transit, giving us a rare chance to probe the circumplanetary environment of a young, evolving exoplanet. As a result, we provide an ephemeris for photometric monitoring of the Hill sphere transit event, which will begin at the start of April in 2017 and finish at the end of January in 2018.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

MO-F-CAMPUS-T-05: Correct Or Not to Correct for Rotational Patient Set-Up Errors in Stereotactic Radiosurgery

Purpose: To quantify the effect of patient rotation in stereotactic radiation therapy and establish a threshold where rotational patient set-up errors have a significant impact on target coverage. Methods: To simulate rotational patient set-up errors, a Matlab code was created to rotate the patient dose distribution around the treatment isocentre, located centrally in the lesion, while keeping the structure contours in the original locations on the CT and MRI. Rotations of 1°, 3°, and 5° for each of the pitch, roll, and yaw, as well as simultaneous rotations of 1°, 3°, and 5° around all three axes were applied to two types of brain lesions: brain metastasis and acoustic neuroma. In order to analyze multiple tumour shapes, these plans included small spherical (metastasis), elliptical (acoustic neuroma), and large irregular (metastasis) tumour structures. Dose-volume histograms and planning target volumes were compared between the planned patient positions and those with simulated rotational set-up errors. The RTOG conformity index for patient rotation was also investigated. Results: Examining the tumour volumes that received 80% of the prescription dose in the planned and rotated patient positions showed decreases in prescription dose coverage of up to 2.3%. Conformity indices for treatments with simulated rotational errors showed decreases of up to 3% compared to the original plan. For irregular lesions, degradation of 1% of the target coverage can be seen for rotations as low as 3°. Conclusions: This data shows that for elliptical or spherical targets, rotational patient set-up errors less than 3° around any or all axes do not have a significant impact on the dose delivered to the target volume or the conformity index of the plan. However the same rotational errors would have an impact on plans for irregular tumours.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Compiler-Assisted Detection of Transient Memory Errors

The probability of bit flips in hardware memory systems is projected to increase significantly as memory systems continue to scale in size and complexity. Effective hardware-based error detection and correction requires that the complete data path, involving all parts of the memory system, be protected with sufficient redundancy. First, this may be costly to employ on commodity computing platforms and second, even on high-end systems, protection against multi-bit errors may be lacking. Therefore, augmenting hardware error detection schemes with software techniques is of consider- able interest. In this paper, we consider software-level mechanisms to comprehensively detect transient memory faults. We develop novel compile-time algorithms to instrument application programs with checksum computation codes so as to detect memory errors. Unlike prior approaches that employ checksums on computational and architectural state, our scheme verifies every data access and works by tracking variables as they are produced and consumed. Experimental evaluation demonstrates that the proposed comprehensive error detection solution is viable as a completely software-only scheme. We also demonstrate that with limited hardware support, overheads of error detection can be further reduced.

def-use analysis↗
DOE OSTI2014

Final Report: Correctness Tools for Petascale Computing

In the course of developing parallel programs for leadership computing systems, subtle programming errors often arise that are extremely difficult to diagnose without tools. To meet this challenge, University of Maryland, the University of Wisconsin—Madison, and Rice University worked to develop lightweight tools to help code developers pinpoint a variety of program correctness errors that plague parallel scientific codes. The aim of this project was to develop software tools that help diagnose program errors including memory leaks, memory access errors, round-off errors, and data races. Research at Rice University focused on developing algorithms and data structures to support efficient monitoring of multithreaded programs for memory access errors and data races. This is a final report about research and development work at Rice University as part of this project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-T-69: Correction Model of NIPAM Gel and Presage for Electron and Proton PDD Measurement

Purpose: The current standard equipment for proton PDD measurement is multilayer-parallel-ion-chamber. Disadvantage of multilayer-parallel-ion-chamber is expensive and complexity manipulation. NIPAM-gel and Presage are options for PDD measurement. Due to different stopping power, the result of NIPAM-gel and Presage need to be corrected. This study aims to create a correction model for NIPAM-gel and Presage PDD measurement. Methods: Standard water based PDD profiles of electron 6MeV, 12MeV, and proton 90MeV were acquired. Electron PDD profile after 1cm thickness of NIPAM-gel added on the top of water was measured. Electron PDD profile with extra 1cm thickness of solid water, PTW RW3, was measured. The distance shift among standard PDD, NIPAM-gel PDD, and solid water PDD at R50% was compared and water equivalent thickness correction factor (WET) was calculated. Similar process was repeated. WETs for electron with Presage, proton with NIPAM-gel, and proton with Presage were calculated. PDD profiles of electron and proton with NIPAM-gel and Presage columns were corrected with each WET. The corrected profiles were compared with standard profiles. Results: WET for electron 12MeV with NIPAM-gel was 1.135, and 1.034 for electron 12Mev with Presage. After correction, PDD profile matched to the standard profile at the fall-off range well. The difference at R50% was 0.26mm shallower and 0.39mm deeper. The same WET was used to correct electron 6MeV profile. Energy independence of electron WET was observed. The difference at R50% was 0.17mm deeper for NIPAM-gel and 0.54mm deeper for Presage. WET for proton 90MeV with NIPAM-gel was 1.056. The difference at R50% was 0.37 deeper. Quenching effect at Bragg peak was revealed. The underestimated dose percentage at Bragg peak was 27%. Conclusion: This correction model can be used to modify PDD profile with depth error within 1mm. With this correction model, NIPAM-gel and Presage can be practical at PDD profile measurement.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Revisiting Understanding of Electrochemical CO 2 Reduction on Cu(111): Competing Proton-Coupled Electron Transfer Reaction Mechanisms Revealed by Embedded Correlated Wavefunction Theory

Copper (Cu) electrodes, as the most efficacious of CO 2 reduction reaction (CO 2 RR) electrocatalysts, serve as prototypes for determining and validating reaction mechanisms associated with electrochemical CO 2 reduction to hydrocarbons. As in situ electrochemical mechanism determination by experiments is still out of reach, such mechanistic analysis typically is conducted using density functional theory (DFT). The semilocal exchange-correlation (XC) approximations most often used to model such catalysis unfortunately engender a basic error: predicting the wrong adsorption site for CO (a key CO 2 RR intermediate) on the most ubiquitous facet of Cu, namely, Cu(111). This longstanding inconsistency casts lingering doubt on previous DFT predictions of the attendant CO 2 RR kinetics. Here, we apply embedded correlated wavefunction (ECW) theory, which corrects XC functional error, to study the CO 2 RR on Cu(111) via both surface hydride (*H) transfer and proton-coupled electron transfer (PCET). We predict that adsorbed CO (*CO) reduces almost equally to two intermediates, namely, hydroxymethylidyne (*COH) and formyl (*CHO) at –0.9 V vs the RHE. In contrast, semilocal DFT approximations predict a strong preference for *COH. With increasing applied potential, the dominance of *COH (formed via potential-independent surface *H transfer) diminishes, switching to the competitive formation of both *CHO and *COH (both formed via potential-dependent PCET). Furthermore, our results also demonstrate the importance of including explicitly modeled solvent molecules in predicting electron-transfer barriers and reveal the pitfalls of overreliance on simple surface *H transfer models of reduction reactions.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Threefold reduction of modeled uncertainty in direct radiative effects over biomass burning regions by constraining absorbing aerosols

Absorbing aerosols emitted from biomass burning (BB) greatly affect the radiation balance, cloudiness, and circulation over tropical regions. Assessments of these impacts rely heavily on the modeled aerosol absorption from poorly constrained global models and thus exhibit large uncertainties. By combining the AeroCom model ensemble with satellite and in situ observations, we provide constraints on the aerosol absorption optical depth (AAOD) over the Amazon and Africa. Our approach enables identification of error contributions from emission, lifetime, and MAC (mass absorption coefficient) per model, with MAC and emission dominating the AAOD errors over Amazon and Africa, respectively. In addition to primary emissions, our analysis suggests substantial formation of secondary organic aerosols over the Amazon but not over Africa. Furthermore, we find that differences in direct aerosol radiative effects between models decrease by threefold over the BB source and outflow regions after correcting the identified errors. This highlights the potential to greatly reduce the uncertainty in the most uncertain radiative forcing agent.

09 BIOMASS FUELS↗